SCHEMBL1721383

SCHEMBL1721383

CCCn1c(-c2cccc(C(F)(F)F)c2)nc(=O)c2c1N=C(c1ccc(OCC#Cc3ccc(F)cc3)cc1)[N]2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.37
ADORA1 P30542 1/20 0.37
EGLN1 Q9GZT9 2/20 0.34
GRIN1 Q05586 5/20 0.34
GRIN2B Q13224 5/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
CXCR1 P25024 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1721091 0.84 ADORA1 (0.43) ADORA2BADORA1GRIN1GRIN2BTP53
SCHEMBL1720864 0.83 ADORA2B (0.43) ADORA2BADORA1MAPT
SCHEMBL30891846 0.79 ADORA1 (0.54) ADORA2BADORA1
SCHEMBL1724286 0.79 ADORA1 (0.54) ADORA2BADORA1
SCHEMBL1720830 0.77 ADORA1 (0.41) ADORA2BADORA1EGLN1CXCR1
SCHEMBL1721175 0.71 ADORA2B (0.44) ADORA2BADORA1
SCHEMBL5547307 0.68 ADORA2B (0.40) ADORA2BADORA1EGLN1MAPT
SCHEMBL1720580 0.64 SCD (0.38) ADORA2BADORA1GRIN1GRIN2B
SCHEMBL1064770 0.64 ADORA2B (0.64) ADORA2BADORA1
SCHEMBL4410107 0.63 ADORA2B (0.71) ADORA2BADORA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2405917-A2 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS Advinus Therapeutics Private Limited (IN) 2012-01-18 EP disclosed
WO-2010103547-A2 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2010-09-16 WO disclosed